REMARK Name = BDB022779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.884 -3.548 -0.360 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.568 -2.326 -0.068 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.686 -1.631 0.741 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.425 -2.415 0.869 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.318 -3.595 0.238 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.887 -1.925 -0.542 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.307 -0.684 -0.125 0.00 0.00 -0.307 N ATOM 8 H LIG 1 2.783 -0.211 0.595 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 3.563 -2.653 -1.259 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.645 -0.197 -0.400 0.00 0.00 +0.142 C BRANCH 10 11 ATOM 11 C LIG 1 4.699 1.306 -0.631 0.00 0.00 -0.005 A ATOM 12 C LIG 1 5.862 2.099 -0.435 0.00 0.00 +0.073 A ATOM 13 C LIG 1 5.787 3.496 -0.632 0.00 0.00 +0.028 A ATOM 14 C LIG 1 4.605 4.104 -1.059 0.00 0.00 +0.002 A ATOM 15 C LIG 1 3.484 3.330 -1.310 0.00 0.00 +0.000 A ATOM 16 C LIG 1 3.534 1.952 -1.108 0.00 0.00 +0.007 A BRANCH 12 17 ATOM 17 N LIG 1 7.127 1.546 -0.076 0.00 0.00 -0.200 N ATOM 18 N LIG 1 7.387 0.221 -0.047 0.00 0.00 -0.039 NA ATOM 19 N LIG 1 8.658 0.091 0.303 0.00 0.00 -0.023 NA ATOM 20 N LIG 1 9.238 1.312 0.498 0.00 0.00 -0.116 NA ATOM 21 C LIG 1 8.296 2.193 0.259 0.00 0.00 +0.250 A ENDBRANCH 12 17 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 22 ATOM 22 C LIG 1 1.395 -4.672 -1.228 0.00 0.00 +0.217 C BRANCH 22 24 ATOM 23 C LIG 1 0.587 -6.690 -0.274 0.00 0.00 +0.194 C ATOM 24 O LIG 1 0.503 -5.791 -1.371 0.00 0.00 -0.377 OA ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 4 25 ATOM 25 C LIG 1 -1.635 -2.100 1.620 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 C LIG 1 -2.430 -1.001 0.958 0.00 0.00 -0.026 A ATOM 27 C LIG 1 -2.591 0.241 1.585 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -3.324 1.256 0.966 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.912 1.050 -0.290 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -3.756 -0.195 -0.913 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -3.023 -1.210 -0.295 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -4.710 2.151 -0.951 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 -6.006 2.369 -0.312 0.00 0.00 -0.311 N ATOM 34 C LIG 1 -6.139 3.427 0.587 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -5.244 4.213 0.888 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 -7.482 3.588 1.211 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -8.472 2.738 0.912 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -8.253 1.658 -0.014 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -7.054 1.504 -0.589 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 10